Im Rahmen dieser Arbeit sollte die Ähnlichkeit von niedermolekularen Verbindungen unter Berücksichtigung der biologischen Aktivität betrachtet werden. Dazu sollte zunächst eine Datenbank solcher Verbindungen generiert werden, die einen weiten chemischen Raum abdeckt und deren Verbindungen größtenteils zugleich synthetisch zugänglich sind. Diese sollte als Ideengenerator in zukünftigen Wirkstoffdesignprojekten verwendet werden können, indem die in den nachfolgenden Analysen zur Ähnlichkeit ent...

The aim of the present study was the identification of novel hit compounds for the inhibition of trypanothione synthetase (TryS) from organisms of the genus Leishmania. They are the causative agents of the so-called neglected diseases. There is an urgent need for novel therapeutics for these diseases as the current treatment methods are not sufficiently reliable when compared to the medical management for diseases prevalent in developed high-income countries. The basic idea of this work was ...

Die digitale Transformation beschreibt die fortschreitende Digitalisierung der Gesellschaft. Diese ist auch in der Intralogistik zu beobachten, wo sie sich in Form neuer digitaler Technologien äußert, die maßgeblichen Einfluss auf die Gestaltung der Arbeitssysteme haben. Davon sind insbesondere die damit einhergehenden veränderten oder neuen Formen der Mensch-Maschine-Zusammenarbeit betroffen. Vor diesem Hintergrund befasst sich diese Arbeit mit der zentralen Forschungsfrage, welche Auswirku...

Voltage control of ferromagnetism on the nanometer scale is highly appealing for the development of novel electronic devices with low power consumption, high operation speed, reliable reversibility and compatibility with semiconductor technology. Hybrid structures based on the assembly of ferromagnetic and semiconducting building blocks are expected to show magnetic order as a ferromagnet and to be electrically tunable as a semiconductor. Here, we demonstrate the electrical control of the exc...

HMF synthesis typically requires high temperature and is carried out in aqueous solutions. In this work, the low-temperature dehydration of fructose to HMF in different deep eutectic solvents (DES) was investigated. We found a very active and selective reaction system consisting of the DES tetraethyl ammonium chloride as hydrogen bond acceptor (HBA) and levulinic acid as hydrogen bond donor (HBD) in a molar ratio of 1:2 leading to a maximum HMF yield of 68% after 120 h at 323 K. The DES still...

In most forming processes based on tailored blanks, the tool material remains the same as that of sheet metal blanks without tailored properties. A novel concept of lightweight construction for deep drawing tools is presented in this work to improve the forming behavior of tailored blanks. The investigations presented here deal with the forming of tailored blanks of dissimilar strengths using tailored dies made of two different materials. In the area of the steel blank with higher strength, t...

In injection molding, the reduction of ejection forces is a process relevant aspect to improve the production rates. For this purpose, CrN and CrAlN films were sputtered on cylindrical and quadratic AISI H11 cores of an injection mold in order to investigate their influence on the resulting ejection forces to demold polypropylene test components. Within this context, the ejection forces of the PVD coated cores were compared to those of uncoated cores made of AISI H11. For both the cylindrical...

Studying biological phenomena of individual cells is enabled by matching the scales of microbes and cultivation devices. We present a versatile, chemically inert microfluidic lab-on-a-chip (LOC) device for biological and chemical analyses of isolated microorganisms. It is based on the Envirostat concept and guarantees constant environmental conditions. A new manufacturing process for direct fusion bonding chips with functional microelectrodes for selective and gentle cell manipulation via neg...

We report on the fabrication and characterization of a novel magnetophotonic structure designed as iron garnet based magneto-optical nanoresonator cavity constrained by two noble metal mirrors. Since the iron garnet layer requires annealing at high temperatures, the fabrication process can be rather challenging. Special approaches for the protection of metal layers against oxidation and morphological changes along with a special plasma-assisted polishing of the iron garnet layer surface were ...

The effects of exchange coupling on magnetic switching properties of all-garnet multilayer thin film structures are investigated. All-garnet structures are fabricated by sandwiching a magneto-soft material of composition type Bi1.8Lu1.2Fe3.6Al1.4O12 or Bi3Fe5O12:Dy2O3 in between two magneto-hard garnet material layers of composition type Bi2Dy1Fe4Ga1O12 or Bi2Dy1Fe4Ga1O12:Bi2O3. The fabricated RF magnetron sputtered exchange-coupled all-garnet multilayers demonstrate a very attractive combina...

One fundamental problem of bioinformatics is the computational recognition of DNA and RNA binding sites. Given a set of short DNA or RNA sequences of equal length such as transcription factor binding sites or RNA splice sites, the task is to learn a pattern from this set that allows the recognition of similar sites in another set of DNA or RNA sequences. Permuted Markov (PM) models and permuted variable length Markov (PVLM) models are two powerful models for this task, but the problem of find...

Some gamblers use a martingale or doubling strategy as a way of improving their chances of winning. This paper derives important formulas for the martingale strategy, such as the distribution, the expected value, the standard deviation of the profit, the risk of a loss or the expected bet of one or multiple martingale rounds. A computer simulation study with R of the doubling strategy is presented. The results of doubling to gambling with a constant sized bet on simple chances (red or black n...

The prospect of utilizing the highly localized electron spin of singly charged semiconductor quantum dots as building blocks for quantum information processing sparked interest in the behavior of the spins in such a system. In this thesis we focus on the theoretical modeling of pump-probe experiments which provide an experimental approach to investigate the spin dynamics. We derive a semiclassical description of the spin dynamics in the periodically pulsed quantum dot including not only ...

All of the objects in the real world are envisioned to be connected and/or represented, through an infrastructure layer, in the virtual world of the Internet, becoming Things with status information. Services are then using the available data from this Internet-of-Things (IoT) for various social and economical benefits which explain its extreme broad usage in very heterogeneous fields. Domain administrations of diverse areas of application developed and deployed their own IoT systems and serv...

High resolution magic-angle spinning (HR-MAS) nuclear magnetic resonance (NMR) spectroscopy is increasingly used for profiling of breast cancer tissue, delivering quantitative information for approximately 40 metabolites. One unique advantage of the method is that it can be used to analyse intact tissue, thereby requiring only minimal sample preparation. Importantly, since the method is non-destructive, it allows further investigations of the same specimen using for instance transcriptomics. ...